Table 2 shows the same quantities as in Table 1, but only for those compounds affected by the amended Lennard-Jones well depth for triple
bonded carbons. The revised results are shown.
TABLE 2:: Computed and experimental hydration free energies and components.
Molecule name
333 trimethoxypropionitrile
3 cyanophenol
3 cyanopyridine
4 cyanophenol
4 cyanopyridine
acetonitrile
benzonitrile
but 1 yne
butanenitrile
cyanobenzene
hept 1 yne
hex 1 yne
methyl cyanoacetate
oct 1 yne
pent 1 yne
pentanenitrile
propyne
